smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccc(F)cc4F)CC3)c([N+](=O)[O-])cc2F)CC1	ZINC000016214018	523923800	/nfs/dbraw/zinc/92/38/00/523923800.db2.gz	IWZZEFKHHSOJRC-UHFFFAOYSA-N	1	1	463.460	2.726	50	5		JFBAMO
C[NH+]1CCN(c2ccc(C(=O)Nc3nc4cc5c(cc4s3)OCCO5)cc2[N+](=O)[O-])CC1	ZINC000021768836	523924323	/nfs/dbraw/zinc/92/43/23/523924323.db2.gz	KBOCGWNGUBYBEB-UHFFFAOYSA-N	1	1	455.496	2.980	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000002454498	554221763	/nfs/dbraw/zinc/22/17/63/554221763.db2.gz	QOZZZKKZISDQMQ-UJAPCULTSA-N	1	1	460.490	2.951	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000009361273	555124003	/nfs/dbraw/zinc/12/40/03/555124003.db2.gz	STZFWFBWYIPTPF-HSGJQSDISA-N	1	1	460.490	2.749	50	5		JFBAMO
C[NH+]1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000009631086	555459645	/nfs/dbraw/zinc/45/96/45/555459645.db2.gz	CYAJMCASGXENMM-UHFFFAOYSA-N	1	1	487.582	2.774	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016001131	556105980	/nfs/dbraw/zinc/10/59/80/556105980.db2.gz	HDZMGJGHYPKOTD-XVIHEJCXSA-N	1	1	460.490	2.951	50	5		JFBAMO
C[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1	ZINC000017028565	556207270	/nfs/dbraw/zinc/20/72/70/556207270.db2.gz	FNDAVVMWWQOOQE-AVRDEDQJSA-N	1	1	453.430	2.520	50	5		JFBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)[C@@H]2C1	ZINC000017028565	556207273	/nfs/dbraw/zinc/20/72/73/556207273.db2.gz	FNDAVVMWWQOOQE-AVRDEDQJSA-N	1	1	453.430	2.520	50	5		JFBAMO
COc1ccc(NC(=O)CC[NH+]2CCN(Cc3nc(-c4ccccc4)no3)CC2)c([N+](=O)[O-])c1	ZINC000026187130	556250536	/nfs/dbraw/zinc/25/05/36/556250536.db2.gz	DWWRTUDXOWWBIH-UHFFFAOYSA-N	1	1	466.498	2.800	50	5		JFBAMO
CC(C)NC(=O)C[N@@H+]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1	ZINC000032803887	556497616	/nfs/dbraw/zinc/49/76/16/556497616.db2.gz	VHOVTCYCLHFQGS-UHFFFAOYSA-N	1	1	450.337	2.942	50	5		JFBAMO
CC(C)NC(=O)C[N@H+]1CCCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1	ZINC000032803887	556497620	/nfs/dbraw/zinc/49/76/20/556497620.db2.gz	VHOVTCYCLHFQGS-UHFFFAOYSA-N	1	1	450.337	2.942	50	5		JFBAMO
COc1ccc(C)cc1C[NH+]1CCN(c2ccc(S(=O)(=O)NC(C)C)cc2[N+](=O)[O-])CC1	ZINC000057362874	569599376	/nfs/dbraw/zinc/59/93/76/569599376.db2.gz	IIBXIDRDMZWWAT-UHFFFAOYSA-N	1	1	462.572	2.921	50	5		JFBAMO
Cc1ccc(C(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(N4CCC(C)CC4)c3C2)cc1[N+](=O)[O-]	ZINC000034756275	569656433	/nfs/dbraw/zinc/65/64/33/569656433.db2.gz	DJRLKLWHSXTHDY-UHFFFAOYSA-N	1	1	493.612	2.880	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035843317	569714435	/nfs/dbraw/zinc/71/44/35/569714435.db2.gz	IDCKTJUEMAKNMI-NRGSMNHXSA-N	1	1	460.490	2.951	50	5		JFBAMO
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000035894799	569723223	/nfs/dbraw/zinc/72/32/23/569723223.db2.gz	MHKZCVZPRMMEFO-FYYLOGMGSA-N	1	1	456.518	2.750	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000096953069	569744024	/nfs/dbraw/zinc/74/40/24/569744024.db2.gz	JCGUMOXBJODQDW-PBQROFAYSA-N	1	1	460.490	2.951	50	5		JFBAMO
CC[NH+]1CCN(C[C@H](C)CNc2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000040149307	569818804	/nfs/dbraw/zinc/81/88/04/569818804.db2.gz	WOWCAAZOLJJVEG-SLFFLAALSA-N	1	1	481.663	2.947	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000104022454	569839973	/nfs/dbraw/zinc/83/99/73/569839973.db2.gz	HDZMGJGHYPKOTD-NRGSMNHXSA-N	1	1	460.490	2.951	50	5		JFBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)[C@@H]2C1	ZINC000104919770	569847220	/nfs/dbraw/zinc/84/72/20/569847220.db2.gz	MWEKWZOPTHWTSM-GGAORHGYSA-N	1	1	469.973	2.890	50	5		JFBAMO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000049717461	569850144	/nfs/dbraw/zinc/85/01/44/569850144.db2.gz	FAUSJBUQIDAASR-KANGHSEISA-N	1	1	452.854	2.679	50	5		JFBAMO
O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000138101201	569865652	/nfs/dbraw/zinc/86/56/52/569865652.db2.gz	NUVIJMBHELZTOQ-VXCZRNDOSA-N	1	1	470.844	2.819	50	5		JFBAMO
O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000138101201	569865653	/nfs/dbraw/zinc/86/56/53/569865653.db2.gz	NUVIJMBHELZTOQ-VXCZRNDOSA-N	1	1	470.844	2.819	50	5		JFBAMO
COCCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681833	569870795	/nfs/dbraw/zinc/87/07/95/569870795.db2.gz	MHKZCVZPRMMEFO-GGAORHGYSA-N	1	1	456.518	2.750	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000245324877	570064078	/nfs/dbraw/zinc/06/40/78/570064078.db2.gz	BJZGBHAJOKWAMJ-ORQYLMBXSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000245324877	570064079	/nfs/dbraw/zinc/06/40/79/570064079.db2.gz	BJZGBHAJOKWAMJ-ORQYLMBXSA-N	1	1	466.881	2.988	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000245325935	570064489	/nfs/dbraw/zinc/06/44/89/570064489.db2.gz	HZDWVKGWUBXHGJ-GBWYYYKWSA-N	1	1	460.490	2.897	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248101384	570074213	/nfs/dbraw/zinc/07/42/13/570074213.db2.gz	JXJJMGSQELOSHD-PLEUHSGWSA-N	1	1	490.516	2.905	50	5		JFBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000248337921	570077873	/nfs/dbraw/zinc/07/78/73/570077873.db2.gz	QPMCFPFDNOSRMU-BPJRARJCSA-N	1	1	476.489	2.651	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000252001640	570079631	/nfs/dbraw/zinc/07/96/31/570079631.db2.gz	MNSPYMWCHIEMMQ-OEZVOZRXSA-N	1	1	476.489	2.597	50	5		JFBAMO
C[NH+]1CCN(c2cc(N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)c([N+](=O)[O-])cc2F)CC1	ZINC000016225567	523924794	/nfs/dbraw/zinc/92/47/94/523924794.db2.gz	CVAWGJWYUXLBNB-UHFFFAOYSA-N	1	1	463.460	2.726	50	5		JFBAMO
Nc1nc(N2CC[NH+](Cc3ccccc3)CC2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000020358346	527556377	/nfs/dbraw/zinc/55/63/77/527556377.db2.gz	VSEASPGQAYOQOO-UHFFFAOYSA-N	1	1	488.596	2.611	50	5		JFBAMO
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000014857869	527606750	/nfs/dbraw/zinc/60/67/50/527606750.db2.gz	YBICSUYSNXGVJY-FNORWQNLSA-N	1	1	465.934	2.956	50	5		JFBAMO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000013750687	555609327	/nfs/dbraw/zinc/60/93/27/555609327.db2.gz	KFEVPYJQFFLOEZ-YDGKCNFYSA-N	1	1	452.854	2.679	50	5		JFBAMO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCC1([NH+]2CCOCC2)CCCCC1	ZINC000012542453	556017779	/nfs/dbraw/zinc/01/77/79/556017779.db2.gz	MUOHSNGWJKONNC-UHFFFAOYSA-N	1	1	452.577	2.826	50	5		JFBAMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000015989940	556102269	/nfs/dbraw/zinc/10/22/69/556102269.db2.gz	STZFWFBWYIPTPF-UGCAPWQASA-N	1	1	460.490	2.749	50	5		JFBAMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000015999143	556104175	/nfs/dbraw/zinc/10/41/75/556104175.db2.gz	JXRUVWHDCWOPEW-BINBFKAUSA-N	1	1	460.490	2.749	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016010166	556109419	/nfs/dbraw/zinc/10/94/19/556109419.db2.gz	XKDZDNYNWNYBJG-FKRWJQPVSA-N	1	1	490.516	2.905	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016010121	556109456	/nfs/dbraw/zinc/10/94/56/556109456.db2.gz	WONQTOWVPWJVQJ-BPJRARJCSA-N	1	1	460.490	2.951	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016012474	556111298	/nfs/dbraw/zinc/11/12/98/556111298.db2.gz	GABKCMHSHTWCJJ-UGCAPWQASA-N	1	1	460.490	2.897	50	5		JFBAMO
CN1CC[NH+](Cc2ccc(CNc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])cc2)CC1	ZINC000032932649	556547855	/nfs/dbraw/zinc/54/78/55/556547855.db2.gz	BEEPAKWYAJMXRU-UHFFFAOYSA-N	1	1	473.599	2.739	50	5		JFBAMO
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870336	569718332	/nfs/dbraw/zinc/71/83/32/569718332.db2.gz	ZDTVPEAYCYPOHA-RBBKRZOGSA-N	1	1	458.946	2.874	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000138075462	569865649	/nfs/dbraw/zinc/86/56/49/569865649.db2.gz	QOZZZKKZISDQMQ-LOJFUVEFSA-N	1	1	460.490	2.951	50	5		JFBAMO
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000245328555	570065885	/nfs/dbraw/zinc/06/58/85/570065885.db2.gz	UZDODSAFDFBGJD-XXBNENTESA-N	1	1	483.912	2.789	50	5		JFBAMO
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000245328555	570065887	/nfs/dbraw/zinc/06/58/87/570065887.db2.gz	UZDODSAFDFBGJD-XXBNENTESA-N	1	1	483.912	2.789	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248101381	570074091	/nfs/dbraw/zinc/07/40/91/570074091.db2.gz	JXJJMGSQELOSHD-ADYBXSNGSA-N	1	1	490.516	2.905	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248337198	570077869	/nfs/dbraw/zinc/07/78/69/570077869.db2.gz	PNDPJSJGPBXDLY-BQVUBFBJSA-N	1	1	476.489	2.651	50	5		JFBAMO
[NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1)OCCCO4	ZINC000012507760	527137204	/nfs/dbraw/zinc/13/72/04/527137204.db2.gz	KSIDAPDEVSBEKF-INIZCTEOSA-N	1	1	459.260	2.965	50	5		JFBAMO
CC(C)[C@@H](CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000012558111	556047186	/nfs/dbraw/zinc/04/71/86/556047186.db2.gz	NICQGXOVTUKOOB-OAQYLSRUSA-N	1	1	454.593	2.928	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3ccc(C)cc32)c(C)cc1[N+](=O)[O-]	ZINC000015996096	556102801	/nfs/dbraw/zinc/10/28/01/556102801.db2.gz	JKVBXPAQIQGZPG-KAMWDBRHSA-N	1	1	476.489	2.651	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000015999214	556104284	/nfs/dbraw/zinc/10/42/84/556104284.db2.gz	JDYKBEHBYKZQFT-PBQROFAYSA-N	1	1	460.490	2.951	50	5		JFBAMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000016011706	556110590	/nfs/dbraw/zinc/11/05/90/556110590.db2.gz	ASKKDZSGXQSJSE-UGCAPWQASA-N	1	1	460.490	2.749	50	5		JFBAMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000016013118	556112098	/nfs/dbraw/zinc/11/20/98/556112098.db2.gz	ONDUZDKAUDVKMM-BINBFKAUSA-N	1	1	460.490	2.749	50	5		JFBAMO
CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c([N+](=O)[O-])c1	ZINC000032932650	556547918	/nfs/dbraw/zinc/54/79/18/556547918.db2.gz	JSAOGYNCVQHLBR-UHFFFAOYSA-N	1	1	475.615	2.985	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2ccc(C)c3C)c(C)cc1[N+](=O)[O-]	ZINC000057093116	569594387	/nfs/dbraw/zinc/59/43/87/569594387.db2.gz	QVZAKHWBXOTNEC-FKRWJQPVSA-N	1	1	490.516	2.960	50	5		JFBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)[C@@H]2C1	ZINC000035894577	569723045	/nfs/dbraw/zinc/72/30/45/569723045.db2.gz	MWEKWZOPTHWTSM-GMAHTHKFSA-N	1	1	469.973	2.890	50	5		JFBAMO
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000103284814	569834234	/nfs/dbraw/zinc/83/42/34/569834234.db2.gz	QSZSDLPJWWMIJY-NRFANRHFSA-N	1	1	485.566	2.897	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000103507530	569835453	/nfs/dbraw/zinc/83/54/53/569835453.db2.gz	JXRUVWHDCWOPEW-ZHBILRMLSA-N	1	1	460.490	2.749	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000104042044	569840003	/nfs/dbraw/zinc/84/00/03/569840003.db2.gz	IDCKTJUEMAKNMI-OAWZGRKZSA-N	1	1	460.490	2.951	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000136059661	569864543	/nfs/dbraw/zinc/86/45/43/569864543.db2.gz	STZFWFBWYIPTPF-PDFGSZSQSA-N	1	1	460.490	2.749	50	5		JFBAMO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000247300899	570067899	/nfs/dbraw/zinc/06/78/99/570067899.db2.gz	FAUSJBUQIDAASR-VXCZRNDOSA-N	1	1	452.854	2.679	50	5		JFBAMO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000247848417	570070112	/nfs/dbraw/zinc/07/01/12/570070112.db2.gz	UGXIRDRIDKPLNX-ORQYLMBXSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000247848417	570070113	/nfs/dbraw/zinc/07/01/13/570070113.db2.gz	UGXIRDRIDKPLNX-ORQYLMBXSA-N	1	1	466.881	2.988	50	5		JFBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000248332419	570077766	/nfs/dbraw/zinc/07/77/66/570077766.db2.gz	IRQJPZFFSINUDE-UOMSLYCOSA-N	1	1	476.489	2.651	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248338856	570078070	/nfs/dbraw/zinc/07/80/70/570078070.db2.gz	SAEDGDGIBNELAE-LWIATZKVSA-N	1	1	460.490	2.951	50	5		JFBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000001315934	194083868	/nfs/dbraw/zinc/08/38/68/194083868.db2.gz	IRQJPZFFSINUDE-KHTISZTLSA-N	1	1	476.489	2.651	50	5		JFBAMO
CC(C)(C)OC(=O)N1CC[NH+](CCCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])CC1	ZINC000036392454	518811697	/nfs/dbraw/zinc/81/16/97/518811697.db2.gz	MLAKTEYZJMLUMU-UHFFFAOYSA-N	1	1	497.618	2.734	50	5		JFBAMO
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1=O	ZINC000012411106	521700460	/nfs/dbraw/zinc/70/04/60/521700460.db2.gz	GMYYKMJKKIUFBV-ATIYNZHBSA-N	1	1	491.548	2.659	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016011820	556110638	/nfs/dbraw/zinc/11/06/38/556110638.db2.gz	JCGUMOXBJODQDW-OZAHESQGSA-N	1	1	460.490	2.951	50	5		JFBAMO
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000016033695	556117743	/nfs/dbraw/zinc/11/77/43/556117743.db2.gz	FAUSJBUQIDAASR-PBWVOLNLSA-N	1	1	452.854	2.679	50	5		JFBAMO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1	ZINC000025218724	556205497	/nfs/dbraw/zinc/20/54/97/556205497.db2.gz	HKQYLDJDNFPLEU-JOCHJYFZSA-N	1	1	480.562	2.620	50	5		JFBAMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@H](C)C2)CC1	ZINC000032931411	556546379	/nfs/dbraw/zinc/54/63/79/556546379.db2.gz	HDGIKBXCWIWDQP-KRWDZBQOSA-N	1	1	466.604	2.542	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000035843992	569714758	/nfs/dbraw/zinc/71/47/58/569714758.db2.gz	HDZMGJGHYPKOTD-OAWZGRKZSA-N	1	1	460.490	2.951	50	5		JFBAMO
CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](C)CC3)N2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000103284811	569834336	/nfs/dbraw/zinc/83/43/36/569834336.db2.gz	QSZSDLPJWWMIJY-OAQYLSRUSA-N	1	1	485.566	2.897	50	5		JFBAMO
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000169681834	569870861	/nfs/dbraw/zinc/87/08/61/569870861.db2.gz	MHKZCVZPRMMEFO-GMAHTHKFSA-N	1	1	456.518	2.750	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000245246130	570059216	/nfs/dbraw/zinc/05/92/16/570059216.db2.gz	JINGFLBEWQEMFQ-DWKCODDLSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000245246130	570059217	/nfs/dbraw/zinc/05/92/17/570059217.db2.gz	JINGFLBEWQEMFQ-DWKCODDLSA-N	1	1	466.881	2.988	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]1[C@@H]1CCC[N@H+]12	ZINC000248113625	570074330	/nfs/dbraw/zinc/07/43/30/570074330.db2.gz	ONDUZDKAUDVKMM-IBSUQTTCSA-N	1	1	460.490	2.749	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]1[C@H]1CCC[N@H+]12	ZINC000248122846	570074613	/nfs/dbraw/zinc/07/46/13/570074613.db2.gz	STZFWFBWYIPTPF-VWEIPLKFSA-N	1	1	460.490	2.749	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248135480	570075162	/nfs/dbraw/zinc/07/51/62/570075162.db2.gz	ZFVZIBJAYAXLND-IZZGNVEXSA-N	1	1	460.490	2.897	50	5		JFBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248331063	570077721	/nfs/dbraw/zinc/07/77/21/570077721.db2.gz	GLNWQPJYBYNRKG-GKAYAJSDSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248338854	570078041	/nfs/dbraw/zinc/07/80/41/570078041.db2.gz	SAEDGDGIBNELAE-GBWYYYKWSA-N	1	1	460.490	2.951	50	5		JFBAMO
CCCC[N@@H+](C)CC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000048263186	520401681	/nfs/dbraw/zinc/40/16/81/520401681.db2.gz	ATMNCTPZUOEERE-UHFFFAOYSA-N	1	1	454.593	2.564	50	5		JFBAMO
CC[NH+]1CCN(Cc2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccccc2)CC1	ZINC000020403603	521689847	/nfs/dbraw/zinc/68/98/47/521689847.db2.gz	ZUXHEMGXRWAWDO-UHFFFAOYSA-N	1	1	457.578	2.629	50	5		JFBAMO
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@@H]32)C1=O	ZINC000014944807	521700532	/nfs/dbraw/zinc/70/05/32/521700532.db2.gz	GMYYKMJKKIUFBV-GJZUVCINSA-N	1	1	491.548	2.659	50	5		JFBAMO
O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000043726248	527092271	/nfs/dbraw/zinc/09/22/71/527092271.db2.gz	KFEVPYJQFFLOEZ-KANGHSEISA-N	1	1	452.854	2.679	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009411538	555178683	/nfs/dbraw/zinc/17/86/83/555178683.db2.gz	JXJJMGSQELOSHD-WUABMQKPSA-N	1	1	490.516	2.905	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000015968251	556094523	/nfs/dbraw/zinc/09/45/23/556094523.db2.gz	UDGNBLFELYPSCF-BINBFKAUSA-N	1	1	460.490	2.897	50	5	biogenic	JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000015999289	556104628	/nfs/dbraw/zinc/10/46/28/556104628.db2.gz	SAEDGDGIBNELAE-PBQROFAYSA-N	1	1	460.490	2.951	50	5		JFBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000016000306	556104933	/nfs/dbraw/zinc/10/49/33/556104933.db2.gz	GKDNGYRMOYIJID-UJAPCULTSA-N	1	1	476.489	2.651	50	5		JFBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1cc(C)cc2C	ZINC000061943427	569609398	/nfs/dbraw/zinc/60/93/98/569609398.db2.gz	GKDNGYRMOYIJID-XVIHEJCXSA-N	1	1	476.489	2.651	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035843184	569714252	/nfs/dbraw/zinc/71/42/52/569714252.db2.gz	JDYKBEHBYKZQFT-MVOHMCPASA-N	1	1	460.490	2.951	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851664	569716666	/nfs/dbraw/zinc/71/66/66/569716666.db2.gz	BJZGBHAJOKWAMJ-ZHSNQQFMSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851664	569716667	/nfs/dbraw/zinc/71/66/67/569716667.db2.gz	BJZGBHAJOKWAMJ-ZHSNQQFMSA-N	1	1	466.881	2.988	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3ccc(C)cc32)c(C)cc1[N+](=O)[O-]	ZINC000049691875	569849932	/nfs/dbraw/zinc/84/99/32/569849932.db2.gz	JKVBXPAQIQGZPG-DTHKZBPFSA-N	1	1	476.489	2.651	50	5		JFBAMO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12)N1CCCC1	ZINC000169677258	569868515	/nfs/dbraw/zinc/86/85/15/569868515.db2.gz	MYQNCBFCZLPLOB-VWNXMTODSA-N	1	1	450.539	2.959	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000245247508	570059389	/nfs/dbraw/zinc/05/93/89/570059389.db2.gz	UCMPOXZGNLCJPE-DWKCODDLSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000245247508	570059390	/nfs/dbraw/zinc/05/93/90/570059390.db2.gz	UCMPOXZGNLCJPE-DWKCODDLSA-N	1	1	466.881	2.988	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248088023	570073730	/nfs/dbraw/zinc/07/37/30/570073730.db2.gz	GABKCMHSHTWCJJ-AIFLQVKLSA-N	1	1	460.490	2.897	50	5		JFBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000248337923	570077907	/nfs/dbraw/zinc/07/79/07/570077907.db2.gz	QPMCFPFDNOSRMU-LOJFUVEFSA-N	1	1	476.489	2.651	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248338177	570077932	/nfs/dbraw/zinc/07/79/32/570077932.db2.gz	QVZAKHWBXOTNEC-ZGTFLMELSA-N	1	1	490.516	2.960	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000102886559	130367716	/nfs/dbraw/zinc/36/77/16/130367716.db2.gz	JINGFLBEWQEMFQ-PRHHBONVSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102886559	130367722	/nfs/dbraw/zinc/36/77/22/130367722.db2.gz	JINGFLBEWQEMFQ-PRHHBONVSA-N	1	1	466.881	2.988	50	5		JFBAMO
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000012522488	526912874	/nfs/dbraw/zinc/91/28/74/526912874.db2.gz	FYZQPWRPCILRBB-UHFFFAOYSA-N	1	1	474.558	2.503	50	5		JFBAMO
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCCC[NH+]1CCOCC1	ZINC000020354710	555781718	/nfs/dbraw/zinc/78/17/18/555781718.db2.gz	MKNJROFDJGWCIG-UHFFFAOYSA-N	1	1	498.591	2.753	50	5		JFBAMO
CC(C)[C@H](CNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000012558021	556046808	/nfs/dbraw/zinc/04/68/08/556046808.db2.gz	FYGKKPRTCRGJRR-UTKZUKDTSA-N	1	1	454.593	2.784	50	5		JFBAMO
Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016001405	556106399	/nfs/dbraw/zinc/10/63/99/556106399.db2.gz	UGXIRDRIDKPLNX-DDOIHHOZSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016001405	556106401	/nfs/dbraw/zinc/10/64/01/556106401.db2.gz	UGXIRDRIDKPLNX-DDOIHHOZSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016001249	556106453	/nfs/dbraw/zinc/10/64/53/556106453.db2.gz	PQKBSASVPJIMLH-XQNUDUSMSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016009884	556109014	/nfs/dbraw/zinc/10/90/14/556109014.db2.gz	BJZGBHAJOKWAMJ-DDOIHHOZSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016009884	556109015	/nfs/dbraw/zinc/10/90/15/556109015.db2.gz	BJZGBHAJOKWAMJ-DDOIHHOZSA-N	1	1	466.881	2.988	50	5		JFBAMO
CC(C)NS(=O)(=O)c1ccc(NC[C@H](c2cccs2)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000013030152	556224776	/nfs/dbraw/zinc/22/47/76/556224776.db2.gz	ADKVMHJPGWIHAI-LJQANCHMSA-N	1	1	467.617	2.744	50	5		JFBAMO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)CC1	ZINC000032931410	556546370	/nfs/dbraw/zinc/54/63/70/556546370.db2.gz	HDGIKBXCWIWDQP-QGZVFWFLSA-N	1	1	466.604	2.542	50	5		JFBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000061943453	569609410	/nfs/dbraw/zinc/60/94/10/569609410.db2.gz	QPMCFPFDNOSRMU-XVIHEJCXSA-N	1	1	476.489	2.651	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035851888	569716808	/nfs/dbraw/zinc/71/68/08/569716808.db2.gz	ASKKDZSGXQSJSE-HSGJQSDISA-N	1	1	460.490	2.749	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035855491	569716915	/nfs/dbraw/zinc/71/69/15/569716915.db2.gz	NVRLWMYLXRFBHU-WKVINZIJSA-N	1	1	476.489	2.597	50	5		JFBAMO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@@H]12)N1CCCC1	ZINC000035894872	569723235	/nfs/dbraw/zinc/72/32/35/569723235.db2.gz	MYQNCBFCZLPLOB-UPVQGACJSA-N	1	1	450.539	2.959	50	5		JFBAMO
O=C(/C=C\c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)NCC1([NH+]2CCOCC2)CCCCC1	ZINC000098002139	569749300	/nfs/dbraw/zinc/74/93/00/569749300.db2.gz	YBICSUYSNXGVJY-ALCCZGGFSA-N	1	1	465.934	2.956	50	5		JFBAMO
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)[C@@H]2C1	ZINC000036316840	569763454	/nfs/dbraw/zinc/76/34/54/569763454.db2.gz	MBWTUNSTIINXQH-GBXCKJPGSA-N	1	1	479.493	2.780	50	5		JFBAMO
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)[C@@H]2C1	ZINC000036316840	569763455	/nfs/dbraw/zinc/76/34/55/569763455.db2.gz	MBWTUNSTIINXQH-GBXCKJPGSA-N	1	1	479.493	2.780	50	5		JFBAMO
Cc1[nH+]ccn1Cc1cccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])c1	ZINC000036396100	569774962	/nfs/dbraw/zinc/77/49/62/569774962.db2.gz	GSKDUNVJQBPOFH-UHFFFAOYSA-N	1	1	484.582	2.696	50	5		JFBAMO
O=C([C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12)N1CCCC1	ZINC000104919433	569847186	/nfs/dbraw/zinc/84/71/86/569847186.db2.gz	MYQNCBFCZLPLOB-LADGPHEKSA-N	1	1	450.539	2.959	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000245246835	570059276	/nfs/dbraw/zinc/05/92/76/570059276.db2.gz	PHUVHVWSULCPLS-KAAUDJBISA-N	1	1	476.489	2.597	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000245247509	570059386	/nfs/dbraw/zinc/05/93/86/570059386.db2.gz	UCMPOXZGNLCJPE-SCYDXJQRSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000245247509	570059387	/nfs/dbraw/zinc/05/93/87/570059387.db2.gz	UCMPOXZGNLCJPE-SCYDXJQRSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248336086	570077957	/nfs/dbraw/zinc/07/79/57/570077957.db2.gz	NXBREAHTFNTVLB-GFTAFNIFSA-N	1	1	460.490	2.951	50	5		JFBAMO
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCC3CCN(CC[NH+](C)C)CC3)c([N+](=O)[O-])c2)C1	ZINC000048290582	524244966	/nfs/dbraw/zinc/24/49/66/524244966.db2.gz	JJOVIMWFQYGXQS-GOSISDBHSA-N	1	1	467.636	2.701	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000002194941	554088676	/nfs/dbraw/zinc/08/86/76/554088676.db2.gz	PHUVHVWSULCPLS-HOKASXAUSA-N	1	1	476.489	2.597	50	5		JFBAMO
C[NH+]1CCN(c2ccc(-c3nn(CC(=O)N4CCCCC4)c(=O)c4ccccc43)cc2[N+](=O)[O-])CC1	ZINC000009191246	554963457	/nfs/dbraw/zinc/96/34/57/554963457.db2.gz	GRPWSKQDKCQJQP-UHFFFAOYSA-N	1	1	490.564	2.736	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016000679	556105275	/nfs/dbraw/zinc/10/52/75/556105275.db2.gz	QOZZZKKZISDQMQ-XVIHEJCXSA-N	1	1	460.490	2.951	50	5		JFBAMO
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCCCCN3CC[NH+](C)CC3)c([N+](=O)[O-])c2)C1	ZINC000029619470	556354243	/nfs/dbraw/zinc/35/42/43/556354243.db2.gz	HTKBQOUCHHBMAY-KDURUIRLSA-N	1	1	467.636	2.701	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cc(C)cc3C)c(C)cc1[N+](=O)[O-]	ZINC000061943407	569609447	/nfs/dbraw/zinc/60/94/47/569609447.db2.gz	DCDMBJTUWWNVQF-FKRWJQPVSA-N	1	1	490.516	2.960	50	5		JFBAMO
C[N@H+]1CCN(CCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1	ZINC000034863414	569667930	/nfs/dbraw/zinc/66/79/30/569667930.db2.gz	ZZAAMESKLOEFBK-QHCPKHFHSA-N	1	1	473.599	2.780	50	5		JFBAMO
Cc1ccc(S(=O)(=O)c2cc3c(nc4c(C)cccn4c3=O)n(CCC[NH+](C)C)c2=N)cc1	ZINC000101157339	569784810	/nfs/dbraw/zinc/78/48/10/569784810.db2.gz	NEKIQXIFIFAJJL-UHFFFAOYSA-N	1	1	465.579	2.530	50	5		JFBAMO
CC(C)NC(=O)C[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1	ZINC000040122900	569816712	/nfs/dbraw/zinc/81/67/12/569816712.db2.gz	IQMOEOSPVZYKHW-UHFFFAOYSA-N	1	1	481.619	2.560	50	5		JFBAMO
CCC1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1	ZINC000103306593	569834582	/nfs/dbraw/zinc/83/45/82/569834582.db2.gz	RLGFHJCMCUMQEV-OAQYLSRUSA-N	1	1	485.566	2.897	50	5		JFBAMO
O=C([C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](CCOc3ccccc3)C[C@H]12)N1CCCC1	ZINC000104919430	569847272	/nfs/dbraw/zinc/84/72/72/569847272.db2.gz	MYQNCBFCZLPLOB-ISKFKSNPSA-N	1	1	450.539	2.959	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000138052646	569865637	/nfs/dbraw/zinc/86/56/37/569865637.db2.gz	PPZSONNTLFUKJX-OQGNEYSTSA-N	1	1	490.516	2.757	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]1[C@H]1CCC[N@H+]12	ZINC000248074456	570073599	/nfs/dbraw/zinc/07/35/99/570073599.db2.gz	ASKKDZSGXQSJSE-VWEIPLKFSA-N	1	1	460.490	2.749	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248332742	570077727	/nfs/dbraw/zinc/07/77/27/570077727.db2.gz	JDYKBEHBYKZQFT-GFTAFNIFSA-N	1	1	460.490	2.951	50	5		JFBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248331065	570077744	/nfs/dbraw/zinc/07/77/44/570077744.db2.gz	GLNWQPJYBYNRKG-KEXUJGGDSA-N	1	1	466.881	2.988	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000253487376	570099744	/nfs/dbraw/zinc/09/97/44/570099744.db2.gz	JKVBXPAQIQGZPG-PPUAZLSFSA-N	1	1	476.489	2.651	50	5		JFBAMO
CC[NH+]1CCN(c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)c([N+](=O)[O-])cc2F)CC1	ZINC000016293497	521696348	/nfs/dbraw/zinc/69/63/48/521696348.db2.gz	HKFGVXAMGAPVCG-UHFFFAOYSA-N	1	1	455.534	2.767	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000009358169	555122499	/nfs/dbraw/zinc/12/24/99/555122499.db2.gz	PPZSONNTLFUKJX-WGXFTBGVSA-N	1	1	490.516	2.757	50	5		JFBAMO
COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]Cc2ccccn2)cc(OC)c1	ZINC000015935248	556073055	/nfs/dbraw/zinc/07/30/55/556073055.db2.gz	PZPWSNNGBSGPOB-UHFFFAOYSA-N	1	1	465.466	2.988	50	5		JFBAMO
COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)C[NH2+]Cc2ccccn2)c(OC)c1	ZINC000015936873	556074811	/nfs/dbraw/zinc/07/48/11/556074811.db2.gz	ZQBQHPHSSFPJTP-UHFFFAOYSA-N	1	1	465.466	2.988	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016000677	556105295	/nfs/dbraw/zinc/10/52/95/556105295.db2.gz	QOZZZKKZISDQMQ-BPJRARJCSA-N	1	1	460.490	2.951	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016010122	556109446	/nfs/dbraw/zinc/10/94/46/556109446.db2.gz	WONQTOWVPWJVQJ-XVIHEJCXSA-N	1	1	460.490	2.951	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016012130	556110918	/nfs/dbraw/zinc/11/09/18/556110918.db2.gz	UCMPOXZGNLCJPE-DDOIHHOZSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016012130	556110921	/nfs/dbraw/zinc/11/09/21/556110921.db2.gz	UCMPOXZGNLCJPE-DDOIHHOZSA-N	1	1	466.881	2.988	50	5		JFBAMO
COc1ccc(OCC[NH+]2CCN([C@@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)cc1	ZINC000018934645	556325230	/nfs/dbraw/zinc/32/52/30/556325230.db2.gz	REMFQPVSRNVUIU-KRWDZBQOSA-N	1	1	458.515	2.636	50	5		JFBAMO
O=[N+]([O-])c1ccc(N2CC[NH+](CCSc3ccccc3)CC2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000032937613	556552695	/nfs/dbraw/zinc/55/26/95/556552695.db2.gz	UWWVFWIFUWOHEM-UHFFFAOYSA-N	1	1	492.623	2.530	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851779	569716544	/nfs/dbraw/zinc/71/65/44/569716544.db2.gz	MNSPYMWCHIEMMQ-CCIIEHSASA-N	1	1	476.489	2.597	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851750	569716619	/nfs/dbraw/zinc/71/66/19/569716619.db2.gz	XKDZDNYNWNYBJG-WYMULPSZSA-N	1	1	490.516	2.905	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035852046	569716943	/nfs/dbraw/zinc/71/69/43/569716943.db2.gz	GABKCMHSHTWCJJ-NAZDKBRTSA-N	1	1	460.490	2.897	50	5		JFBAMO
C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@H]23)C[C@@H](C)O1	ZINC000035894878	569723227	/nfs/dbraw/zinc/72/32/27/569723227.db2.gz	QESBQKYMLSXDOW-QBIGFDGOSA-N	1	1	494.592	2.973	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000138124975	569865746	/nfs/dbraw/zinc/86/57/46/569865746.db2.gz	NVRLWMYLXRFBHU-UJAPCULTSA-N	1	1	476.489	2.597	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000245246132	570059183	/nfs/dbraw/zinc/05/91/83/570059183.db2.gz	JINGFLBEWQEMFQ-SCYDXJQRSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000245246132	570059186	/nfs/dbraw/zinc/05/91/86/570059186.db2.gz	JINGFLBEWQEMFQ-SCYDXJQRSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@@H+]21	ZINC000245247518	570059463	/nfs/dbraw/zinc/05/94/63/570059463.db2.gz	ULKUIXDUYYFFCK-ORQYLMBXSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000245247518	570059464	/nfs/dbraw/zinc/05/94/64/570059464.db2.gz	ULKUIXDUYYFFCK-ORQYLMBXSA-N	1	1	466.881	2.988	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248088032	570073811	/nfs/dbraw/zinc/07/38/11/570073811.db2.gz	GABKCMHSHTWCJJ-IZZGNVEXSA-N	1	1	460.490	2.897	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]1[C@H]1CCC[N@H+]12	ZINC000248113629	570074359	/nfs/dbraw/zinc/07/43/59/570074359.db2.gz	ONDUZDKAUDVKMM-QNGCPFJASA-N	1	1	460.490	2.749	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4cccc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248337200	570077954	/nfs/dbraw/zinc/07/79/54/570077954.db2.gz	PNDPJSJGPBXDLY-QYNSMDLWSA-N	1	1	476.489	2.651	50	5		JFBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000002359763	194160134	/nfs/dbraw/zinc/16/01/34/194160134.db2.gz	KPLGJLYESKJSKL-HOKASXAUSA-N	1	1	476.489	2.651	50	5		JFBAMO
CC[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)[C@@H](C)C3)c([N+](=O)[O-])cc2F)CC1	ZINC000016383254	521696314	/nfs/dbraw/zinc/69/63/14/521696314.db2.gz	XSXOVWNMVAUBOQ-SFHVURJKSA-N	1	1	491.589	2.775	50	5		JFBAMO
NS(=O)(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1	ZINC000009470815	555254125	/nfs/dbraw/zinc/25/41/25/555254125.db2.gz	SVGDDJZOVNNXII-UHFFFAOYSA-N	1	1	458.462	2.973	50	5		JFBAMO
COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	ZINC000012558295	556047627	/nfs/dbraw/zinc/04/76/27/556047627.db2.gz	FYCZNUIYKLGEBL-KRWDZBQOSA-N	1	1	483.443	2.962	50	5		JFBAMO
CC(C)C[C@@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000012586616	556084042	/nfs/dbraw/zinc/08/40/42/556084042.db2.gz	WMHAPHRXFRJKNN-SFHVURJKSA-N	1	1	454.593	2.928	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016010314	556110189	/nfs/dbraw/zinc/11/01/89/556110189.db2.gz	HZDWVKGWUBXHGJ-PBQROFAYSA-N	1	1	460.490	2.897	50	5		JFBAMO
CC[NH+]1CCN(CCCCNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000032916218	556540199	/nfs/dbraw/zinc/54/01/99/556540199.db2.gz	AFRVQFVBJKCCJW-IBGZPJMESA-N	1	1	467.636	2.845	50	5		JFBAMO
CC1CCC(NS(=O)(=O)c2ccc(NCCCN3CCC[N@@H+](C)CC3)c([N+](=O)[O-])c2)CC1	ZINC000062582442	569611979	/nfs/dbraw/zinc/61/19/79/569611979.db2.gz	XAZONSSHUUSILN-UHFFFAOYSA-N	1	1	467.636	2.891	50	5		JFBAMO
CC1CCC(NS(=O)(=O)c2ccc(NCCC[N@@H+]3CCCN(C)CC3)c([N+](=O)[O-])c2)CC1	ZINC000062582442	569611980	/nfs/dbraw/zinc/61/19/80/569611980.db2.gz	XAZONSSHUUSILN-UHFFFAOYSA-N	1	1	467.636	2.891	50	5		JFBAMO
CC1CCC(NS(=O)(=O)c2ccc(NCCC[N@H+]3CCCN(C)CC3)c([N+](=O)[O-])c2)CC1	ZINC000062582442	569611981	/nfs/dbraw/zinc/61/19/81/569611981.db2.gz	XAZONSSHUUSILN-UHFFFAOYSA-N	1	1	467.636	2.891	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851904	569716745	/nfs/dbraw/zinc/71/67/45/569716745.db2.gz	VMUQMFUXIVMSOG-PUFAWVJESA-N	1	1	460.490	2.897	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000104022446	569839847	/nfs/dbraw/zinc/83/98/47/569839847.db2.gz	HDZMGJGHYPKOTD-YMGHSFPGSA-N	1	1	460.490	2.951	50	5		JFBAMO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000138085578	569865691	/nfs/dbraw/zinc/86/56/91/569865691.db2.gz	UGXIRDRIDKPLNX-FXKZBUDASA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000138085578	569865692	/nfs/dbraw/zinc/86/56/92/569865692.db2.gz	UGXIRDRIDKPLNX-FXKZBUDASA-N	1	1	466.881	2.988	50	5		JFBAMO
C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@@H]23)C[C@H](C)O1	ZINC000169677274	569868669	/nfs/dbraw/zinc/86/86/69/569868669.db2.gz	QESBQKYMLSXDOW-WNBHKESASA-N	1	1	494.592	2.973	50	5		JFBAMO
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1=O	ZINC000230047973	570044026	/nfs/dbraw/zinc/04/40/26/570044026.db2.gz	GMYYKMJKKIUFBV-NVQXNPDNSA-N	1	1	491.548	2.659	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000245246836	570059297	/nfs/dbraw/zinc/05/92/97/570059297.db2.gz	PHUVHVWSULCPLS-ZCGKIOINSA-N	1	1	476.489	2.597	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000245247519	570059443	/nfs/dbraw/zinc/05/94/43/570059443.db2.gz	ULKUIXDUYYFFCK-YDSTWLSQSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000245247519	570059444	/nfs/dbraw/zinc/05/94/44/570059444.db2.gz	ULKUIXDUYYFFCK-YDSTWLSQSA-N	1	1	466.881	2.988	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248329287	570077715	/nfs/dbraw/zinc/07/77/15/570077715.db2.gz	DCDMBJTUWWNVQF-VAJHCWEMSA-N	1	1	490.516	2.960	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248336083	570077917	/nfs/dbraw/zinc/07/79/17/570077917.db2.gz	NXBREAHTFNTVLB-AJGMTHFWSA-N	1	1	460.490	2.951	50	5		JFBAMO
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248337256	570077946	/nfs/dbraw/zinc/07/79/46/570077946.db2.gz	PQKBSASVPJIMLH-YWYGCRHHSA-N	1	1	466.881	2.988	50	5		JFBAMO
C[NH+]1CCN(c2cc(N3CCN(C(=O)c4cccc(F)c4F)CC3)c([N+](=O)[O-])cc2F)CC1	ZINC000016213884	523923634	/nfs/dbraw/zinc/92/36/34/523923634.db2.gz	JVNXSKOQDQPNTE-UHFFFAOYSA-N	1	1	463.460	2.726	50	5		JFBAMO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000009356937	555122241	/nfs/dbraw/zinc/12/22/41/555122241.db2.gz	UGXIRDRIDKPLNX-ZHSNQQFMSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009356937	555122244	/nfs/dbraw/zinc/12/22/44/555122244.db2.gz	UGXIRDRIDKPLNX-ZHSNQQFMSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(N2CCN(c3cc(N4CCN(CCO)CC4)ccc3[N+](=O)[O-])CC2)c2ccccc2[nH+]1	ZINC000009720426	555452006	/nfs/dbraw/zinc/45/20/06/555452006.db2.gz	FIHLVLBIZMFDLZ-UHFFFAOYSA-N	1	1	476.581	2.892	50	5		JFBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21C(=O)Nc2c1ccc(C)c2C	ZINC000013541610	555489219	/nfs/dbraw/zinc/48/92/19/555489219.db2.gz	KPLGJLYESKJSKL-KHTISZTLSA-N	1	1	476.489	2.651	50	5		JFBAMO
O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000020025203	555603421	/nfs/dbraw/zinc/60/34/21/555603421.db2.gz	BANPAZHWUPIDGD-HSZRJFAPSA-N	1	1	474.517	2.695	50	5		JFBAMO
CC(C)[C@H](CNc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000012558022	556046798	/nfs/dbraw/zinc/04/67/98/556046798.db2.gz	FYGKKPRTCRGJRR-UWJYYQICSA-N	1	1	454.593	2.784	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2ccc(C)c3C)c(C)cc1[N+](=O)[O-]	ZINC000015999258	556104274	/nfs/dbraw/zinc/10/42/74/556104274.db2.gz	QVZAKHWBXOTNEC-CPVJYWEUSA-N	1	1	490.516	2.960	50	5		JFBAMO
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)[C@@H]2C1	ZINC000016972618	556192169	/nfs/dbraw/zinc/19/21/69/556192169.db2.gz	MBWTUNSTIINXQH-RDPSFJRHSA-N	1	1	479.493	2.780	50	5		JFBAMO
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)[C@@H]2C1	ZINC000016972618	556192170	/nfs/dbraw/zinc/19/21/70/556192170.db2.gz	MBWTUNSTIINXQH-RDPSFJRHSA-N	1	1	479.493	2.780	50	5		JFBAMO
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NCCCCN3CC[NH+](C)CC3)c([N+](=O)[O-])c2)C1	ZINC000029619468	556354281	/nfs/dbraw/zinc/35/42/81/556354281.db2.gz	HTKBQOUCHHBMAY-RTBURBONSA-N	1	1	467.636	2.701	50	5		JFBAMO
CN(C)S(=O)(=O)c1ccc(NC(=O)CC[NH+]2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1	ZINC000031306644	556395778	/nfs/dbraw/zinc/39/57/78/556395778.db2.gz	NZKLFJYYNOTBJJ-UHFFFAOYSA-N	1	1	495.989	2.649	50	5		JFBAMO
CC[NH+]1CCN(CCCCNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000032916217	556540225	/nfs/dbraw/zinc/54/02/25/556540225.db2.gz	AFRVQFVBJKCCJW-LJQANCHMSA-N	1	1	467.636	2.845	50	5		JFBAMO
CC[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4ccccc4)[C@H](C)C3)c([N+](=O)[O-])cc2F)CC1	ZINC000035352901	569681886	/nfs/dbraw/zinc/68/18/86/569681886.db2.gz	XSXOVWNMVAUBOQ-GOSISDBHSA-N	1	1	491.589	2.775	50	5		JFBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035843987	569714754	/nfs/dbraw/zinc/71/47/54/569714754.db2.gz	GLNWQPJYBYNRKG-CROMWVBPSA-N	1	1	466.881	2.988	50	5		JFBAMO
COCCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12	ZINC000035894801	569723123	/nfs/dbraw/zinc/72/31/23/569723123.db2.gz	MHKZCVZPRMMEFO-JTHBVZDNSA-N	1	1	456.518	2.750	50	5		JFBAMO
C[C@H]1CCCN(S(=O)(=O)c2ccc(NC3CC[NH+](CC(=O)N4CCCC4)CC3)c([N+](=O)[O-])c2)C1	ZINC000040122903	569816716	/nfs/dbraw/zinc/81/67/16/569816716.db2.gz	OMKDCQHGKMXQIT-SFHVURJKSA-N	1	1	493.630	2.514	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000104042034	569840039	/nfs/dbraw/zinc/84/00/39/569840039.db2.gz	IDCKTJUEMAKNMI-YMGHSFPGSA-N	1	1	460.490	2.951	50	5		JFBAMO
C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@@H]23)C[C@@H](C)O1	ZINC000169677273	569868586	/nfs/dbraw/zinc/86/85/86/569868586.db2.gz	QESBQKYMLSXDOW-MGAFBPAPSA-N	1	1	494.592	2.973	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@]21[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000229614371	570040777	/nfs/dbraw/zinc/04/07/77/570040777.db2.gz	JCGUMOXBJODQDW-TXNPELCJSA-N	1	1	460.490	2.951	50	5		JFBAMO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000247848422	570070081	/nfs/dbraw/zinc/07/00/81/570070081.db2.gz	UGXIRDRIDKPLNX-YDSTWLSQSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000247848422	570070082	/nfs/dbraw/zinc/07/00/82/570070082.db2.gz	UGXIRDRIDKPLNX-YDSTWLSQSA-N	1	1	466.881	2.988	50	5		JFBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)[C@H]2C1	ZINC000248027530	570073066	/nfs/dbraw/zinc/07/30/66/570073066.db2.gz	MWEKWZOPTHWTSM-JTHBVZDNSA-N	1	1	469.973	2.890	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]1[C@H]1CCC[N@H+]12	ZINC000248116446	570074314	/nfs/dbraw/zinc/07/43/14/570074314.db2.gz	PPZSONNTLFUKJX-OJELSEKLSA-N	1	1	490.516	2.757	50	5		JFBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000248332417	570077724	/nfs/dbraw/zinc/07/77/24/570077724.db2.gz	IRQJPZFFSINUDE-MZYVBUQCSA-N	1	1	476.489	2.651	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5c4cc(C)cc5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248329288	570077737	/nfs/dbraw/zinc/07/77/37/570077737.db2.gz	DCDMBJTUWWNVQF-ZGTFLMELSA-N	1	1	490.516	2.960	50	5		JFBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248336800	570077921	/nfs/dbraw/zinc/07/79/21/570077921.db2.gz	PBVSOIVDCRGCAE-YRAONVGVSA-N	1	1	466.881	2.988	50	5		JFBAMO
O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1cccn2c(=O)c3ccccc3nc12	ZINC000002957259	194180334	/nfs/dbraw/zinc/18/03/34/194180334.db2.gz	KUZGGJHFDXOKEY-UHFFFAOYSA-N	1	1	459.525	2.929	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000002215400	554097572	/nfs/dbraw/zinc/09/75/72/554097572.db2.gz	WONQTOWVPWJVQJ-UJAPCULTSA-N	1	1	460.490	2.951	50	5		JFBAMO
O=C1c2cccc3cccc(c32)C(=O)N1CCN1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000020025200	555603533	/nfs/dbraw/zinc/60/35/33/555603533.db2.gz	BANPAZHWUPIDGD-QHCPKHFHSA-N	1	1	474.517	2.695	50	5		JFBAMO
CC(C)[C@H](CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000012558112	556047076	/nfs/dbraw/zinc/04/70/76/556047076.db2.gz	NICQGXOVTUKOOB-NRFANRHFSA-N	1	1	454.593	2.928	50	5		JFBAMO
CC(C)C[C@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000012586622	556083995	/nfs/dbraw/zinc/08/39/95/556083995.db2.gz	WMHAPHRXFRJKNN-GOSISDBHSA-N	1	1	454.593	2.928	50	5		JFBAMO
O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000016009675	556108311	/nfs/dbraw/zinc/10/83/11/556108311.db2.gz	NUVIJMBHELZTOQ-BREDGVMVSA-N	1	1	470.844	2.819	50	5		JFBAMO
O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000016009675	556108313	/nfs/dbraw/zinc/10/83/13/556108313.db2.gz	NUVIJMBHELZTOQ-BREDGVMVSA-N	1	1	470.844	2.819	50	5		JFBAMO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C[C@H](O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1	ZINC000025218729	556205484	/nfs/dbraw/zinc/20/54/84/556205484.db2.gz	HKQYLDJDNFPLEU-QFIPXVFZSA-N	1	1	480.562	2.620	50	5		JFBAMO
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NCCCCN3CC[NH+](C)CC3)c([N+](=O)[O-])c2)C1	ZINC000029619473	556354190	/nfs/dbraw/zinc/35/41/90/556354190.db2.gz	HTKBQOUCHHBMAY-OALUTQOASA-N	1	1	467.636	2.701	50	5		JFBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000034868770	569668118	/nfs/dbraw/zinc/66/81/18/569668118.db2.gz	PBVSOIVDCRGCAE-YQYRJILISA-N	1	1	466.881	2.988	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035855372	569716896	/nfs/dbraw/zinc/71/68/96/569716896.db2.gz	UHVFHSHMKTYUAX-MASGSYHESA-N	1	1	476.489	2.597	50	5		JFBAMO
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677752	569868916	/nfs/dbraw/zinc/86/89/16/569868916.db2.gz	ZDTVPEAYCYPOHA-IRLDBZIGSA-N	1	1	458.946	2.874	50	5		JFBAMO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000247300868	570067688	/nfs/dbraw/zinc/06/76/88/570067688.db2.gz	FAUSJBUQIDAASR-BREDGVMVSA-N	1	1	452.854	2.679	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12	ZINC000247986750	570071993	/nfs/dbraw/zinc/07/19/93/570071993.db2.gz	JXRUVWHDCWOPEW-IBSUQTTCSA-N	1	1	460.490	2.749	50	5		JFBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000248331047	570077731	/nfs/dbraw/zinc/07/77/31/570077731.db2.gz	GKDNGYRMOYIJID-BPJRARJCSA-N	1	1	476.489	2.651	50	5		JFBAMO
C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1	ZINC000016192478	525046697	/nfs/dbraw/zinc/04/66/97/525046697.db2.gz	GXMGSZDGXMQOEB-KDURUIRLSA-N	1	1	474.583	2.715	50	5		JFBAMO
[NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1)OCCCO4	ZINC000012507761	527137745	/nfs/dbraw/zinc/13/77/45/527137745.db2.gz	KSIDAPDEVSBEKF-MRXNPFEDSA-N	1	1	459.260	2.965	50	5		JFBAMO
O=C(COc1ccc2c(c1)c1ccnc3c1n2c(=O)c1ccccc13)NCCC[NH+]1CCOCC1	ZINC000008792230	554685529	/nfs/dbraw/zinc/68/55/29/554685529.db2.gz	AFTHRBGPRIHXQX-UHFFFAOYSA-N	1	1	470.529	2.809	50	5	biogenic	JFBAMO
O=C(C[NH2+]Cc1ccco1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCO2	ZINC000020155014	555675001	/nfs/dbraw/zinc/67/50/01/555675001.db2.gz	FNUDXDXUTXAKOH-UHFFFAOYSA-N	1	1	452.423	2.940	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000015969384	556095346	/nfs/dbraw/zinc/09/53/46/556095346.db2.gz	JXJJMGSQELOSHD-OFCWLIIESA-N	1	1	490.516	2.905	50	5	biogenic	JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2cc(C)cc3C)c(C)cc1[N+](=O)[O-]	ZINC000015999299	556104636	/nfs/dbraw/zinc/10/46/36/556104636.db2.gz	DCDMBJTUWWNVQF-CPVJYWEUSA-N	1	1	490.516	2.960	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016009636	556108294	/nfs/dbraw/zinc/10/82/94/556108294.db2.gz	JINGFLBEWQEMFQ-DDOIHHOZSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016009636	556108296	/nfs/dbraw/zinc/10/82/96/556108296.db2.gz	JINGFLBEWQEMFQ-DDOIHHOZSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000016010048	556109087	/nfs/dbraw/zinc/10/90/87/556109087.db2.gz	ULKUIXDUYYFFCK-DDOIHHOZSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016010048	556109089	/nfs/dbraw/zinc/10/90/89/556109089.db2.gz	ULKUIXDUYYFFCK-DDOIHHOZSA-N	1	1	466.881	2.988	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016010241	556109720	/nfs/dbraw/zinc/10/97/20/556109720.db2.gz	MNSPYMWCHIEMMQ-DNBVQBCISA-N	1	1	476.489	2.597	50	5		JFBAMO
C[N@H+]1CCN(CCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1	ZINC000031784622	556404438	/nfs/dbraw/zinc/40/44/38/556404438.db2.gz	ZZAAMESKLOEFBK-HSZRJFAPSA-N	1	1	473.599	2.780	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851659	569716610	/nfs/dbraw/zinc/71/66/10/569716610.db2.gz	ZFVZIBJAYAXLND-NAZDKBRTSA-N	1	1	460.490	2.897	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851986	569716800	/nfs/dbraw/zinc/71/68/00/569716800.db2.gz	UCMPOXZGNLCJPE-PRHHBONVSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851986	569716802	/nfs/dbraw/zinc/71/68/02/569716802.db2.gz	UCMPOXZGNLCJPE-PRHHBONVSA-N	1	1	466.881	2.988	50	5		JFBAMO
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CC[NH+](Cc2csc3ccccc23)CC1	ZINC000040013335	569813834	/nfs/dbraw/zinc/81/38/34/569813834.db2.gz	AZSOOVJIUHDWEP-UHFFFAOYSA-N	1	1	464.503	2.750	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000102869574	569825727	/nfs/dbraw/zinc/82/57/27/569825727.db2.gz	PHUVHVWSULCPLS-OIBPMIBVSA-N	1	1	476.489	2.597	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000138106874	569865628	/nfs/dbraw/zinc/86/56/28/569865628.db2.gz	ULKUIXDUYYFFCK-FXKZBUDASA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000138106874	569865629	/nfs/dbraw/zinc/86/56/29/569865629.db2.gz	ULKUIXDUYYFFCK-FXKZBUDASA-N	1	1	466.881	2.988	50	5		JFBAMO
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](Cc4ccccc4)C[C@H]32)C1=O	ZINC000230047976	570044039	/nfs/dbraw/zinc/04/40/39/570044039.db2.gz	GMYYKMJKKIUFBV-BKMJKUGQSA-N	1	1	491.548	2.659	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000245247794	570059421	/nfs/dbraw/zinc/05/94/21/570059421.db2.gz	XKDZDNYNWNYBJG-GFMVQQFFSA-N	1	1	490.516	2.905	50	5		JFBAMO
C[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)[C@H]2C1	ZINC000248027529	570072977	/nfs/dbraw/zinc/07/29/77/570072977.db2.gz	MWEKWZOPTHWTSM-FYYLOGMGSA-N	1	1	469.973	2.890	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]1[C@@H]1CCC[N@H+]12	ZINC000248074454	570073596	/nfs/dbraw/zinc/07/35/96/570073596.db2.gz	ASKKDZSGXQSJSE-UKDJSQQHSA-N	1	1	460.490	2.749	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@@H+]21	ZINC000002199692	554090766	/nfs/dbraw/zinc/09/07/66/554090766.db2.gz	BJZGBHAJOKWAMJ-FXKZBUDASA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000002199692	554090767	/nfs/dbraw/zinc/09/07/67/554090767.db2.gz	BJZGBHAJOKWAMJ-FXKZBUDASA-N	1	1	466.881	2.988	50	5		JFBAMO
C[NH+]1CCN(c2ccc(C(=O)OCC(=O)Nc3ccccc3Br)cc2[N+](=O)[O-])CC1	ZINC000009511997	555301516	/nfs/dbraw/zinc/30/15/16/555301516.db2.gz	UCUJEMDJQCFBGT-UHFFFAOYSA-N	1	1	477.315	2.905	50	5		JFBAMO
COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1	ZINC000012558296	556047552	/nfs/dbraw/zinc/04/75/52/556047552.db2.gz	FYCZNUIYKLGEBL-QGZVFWFLSA-N	1	1	483.443	2.962	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016009877	556108980	/nfs/dbraw/zinc/10/89/80/556108980.db2.gz	ZFVZIBJAYAXLND-UGCAPWQASA-N	1	1	460.490	2.897	50	5		JFBAMO
COc1ccc(OCC[NH+]2CCN([C@H](C)C(=O)Nc3cc([N+](=O)[O-])ccc3OC)CC2)cc1	ZINC000018934646	556325278	/nfs/dbraw/zinc/32/52/78/556325278.db2.gz	REMFQPVSRNVUIU-QGZVFWFLSA-N	1	1	458.515	2.636	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035843211	569714383	/nfs/dbraw/zinc/71/43/83/569714383.db2.gz	SAEDGDGIBNELAE-PUFAWVJESA-N	1	1	460.490	2.951	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@@H+]21	ZINC000035851717	569716548	/nfs/dbraw/zinc/71/65/48/569716548.db2.gz	ULKUIXDUYYFFCK-ZHSNQQFMSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851717	569716549	/nfs/dbraw/zinc/71/65/49/569716549.db2.gz	ULKUIXDUYYFFCK-ZHSNQQFMSA-N	1	1	466.881	2.988	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000035851804	569716559	/nfs/dbraw/zinc/71/65/59/569716559.db2.gz	HZDWVKGWUBXHGJ-PUFAWVJESA-N	1	1	460.490	2.897	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000035855595	569716887	/nfs/dbraw/zinc/71/68/87/569716887.db2.gz	ONDUZDKAUDVKMM-ZHBILRMLSA-N	1	1	460.490	2.749	50	5		JFBAMO
Cc1nc(C)c(Cc2ccc([N+](=O)[O-])cc2)c(N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)n1	ZINC000036340237	569763842	/nfs/dbraw/zinc/76/38/42/569763842.db2.gz	DKMGPIOLGRWIEH-JOCHJYFZSA-N	1	1	457.575	2.748	50	5		JFBAMO
CC(C)[C@@H](CNc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000103498605	569835327	/nfs/dbraw/zinc/83/53/27/569835327.db2.gz	FYGKKPRTCRGJRR-DYESRHJHSA-N	1	1	454.593	2.784	50	5		JFBAMO
CC(C)[C@@H](CNc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1[N+](=O)[O-])[NH+]1CCOCC1	ZINC000103498607	569835347	/nfs/dbraw/zinc/83/53/47/569835347.db2.gz	FYGKKPRTCRGJRR-LAUBAEHRSA-N	1	1	454.593	2.784	50	5		JFBAMO
COCCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677753	569868858	/nfs/dbraw/zinc/86/88/58/569868858.db2.gz	ZDTVPEAYCYPOHA-UNMCSNQZSA-N	1	1	458.946	2.874	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000245247547	570059458	/nfs/dbraw/zinc/05/94/58/570059458.db2.gz	VMUQMFUXIVMSOG-LWIATZKVSA-N	1	1	460.490	2.897	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000245325936	570064467	/nfs/dbraw/zinc/06/44/67/570064467.db2.gz	HZDWVKGWUBXHGJ-LWIATZKVSA-N	1	1	460.490	2.897	50	5		JFBAMO
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000247316251	570067877	/nfs/dbraw/zinc/06/78/77/570067877.db2.gz	KFEVPYJQFFLOEZ-VXCZRNDOSA-N	1	1	452.854	2.679	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@H]1[C@H]1CCC[N@H+]12	ZINC000247986753	570072020	/nfs/dbraw/zinc/07/20/20/570072020.db2.gz	JXRUVWHDCWOPEW-QNGCPFJASA-N	1	1	460.490	2.749	50	5		JFBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4C)[C@H]2C1=O	ZINC000248331050	570077747	/nfs/dbraw/zinc/07/77/47/570077747.db2.gz	GKDNGYRMOYIJID-LOJFUVEFSA-N	1	1	476.489	2.651	50	5		JFBAMO
C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1	ZINC000016192479	524658411	/nfs/dbraw/zinc/65/84/11/524658411.db2.gz	GXMGSZDGXMQOEB-OALUTQOASA-N	1	1	474.583	2.715	50	5		JFBAMO
C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1	ZINC000016192475	525047549	/nfs/dbraw/zinc/04/75/49/525047549.db2.gz	GXMGSZDGXMQOEB-RTBURBONSA-N	1	1	474.583	2.715	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000002432127	554205561	/nfs/dbraw/zinc/20/55/61/554205561.db2.gz	VMUQMFUXIVMSOG-ZDQHKECQSA-N	1	1	460.490	2.897	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000009360563	555123668	/nfs/dbraw/zinc/12/36/68/555123668.db2.gz	UDGNBLFELYPSCF-MASGSYHESA-N	1	1	460.490	2.897	50	5		JFBAMO
CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000015996239	556102879	/nfs/dbraw/zinc/10/28/79/556102879.db2.gz	PPZSONNTLFUKJX-OFCWLIIESA-N	1	1	490.516	2.757	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016000800	556105286	/nfs/dbraw/zinc/10/52/86/556105286.db2.gz	IDCKTJUEMAKNMI-XVIHEJCXSA-N	1	1	460.490	2.951	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016009817	556108676	/nfs/dbraw/zinc/10/86/76/556108676.db2.gz	PHUVHVWSULCPLS-KHTISZTLSA-N	1	1	476.489	2.597	50	5		JFBAMO
CC(C)NS(=O)(=O)c1ccc(NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000013030156	556225075	/nfs/dbraw/zinc/22/50/75/556225075.db2.gz	ADKVMHJPGWIHAI-IBGZPJMESA-N	1	1	467.617	2.744	50	5		JFBAMO
COCCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12	ZINC000035870335	569718300	/nfs/dbraw/zinc/71/83/00/569718300.db2.gz	ZDTVPEAYCYPOHA-IFMALSPDSA-N	1	1	458.946	2.874	50	5		JFBAMO
Cc1nc(C)c(Cc2ccc([N+](=O)[O-])cc2)c(N2CC[NH+](C[C@H](O)COCC(C)C)CC2)n1	ZINC000036340236	569763681	/nfs/dbraw/zinc/76/36/81/569763681.db2.gz	DKMGPIOLGRWIEH-QFIPXVFZSA-N	1	1	457.575	2.748	50	5		JFBAMO
CC[NH+]1CCN(C[C@@H](C)CNc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000040149304	569818839	/nfs/dbraw/zinc/81/88/39/569818839.db2.gz	WOWCAAZOLJJVEG-ZCNNSNEGSA-N	1	1	481.663	2.947	50	5		JFBAMO
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000138083165	569865688	/nfs/dbraw/zinc/86/56/88/569865688.db2.gz	PQKBSASVPJIMLH-XITLKHQFSA-N	1	1	466.881	2.988	50	5		JFBAMO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000229654301	570040759	/nfs/dbraw/zinc/04/07/59/570040759.db2.gz	NUVIJMBHELZTOQ-PBWVOLNLSA-N	1	1	470.844	2.819	50	5		JFBAMO
O=C1Nc2ccc(F)cc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000229654301	570040761	/nfs/dbraw/zinc/04/07/61/570040761.db2.gz	NUVIJMBHELZTOQ-PBWVOLNLSA-N	1	1	470.844	2.819	50	5		JFBAMO
CC[NH+]1CCN(C[C@H](C)CNc2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000229820718	570041313	/nfs/dbraw/zinc/04/13/13/570041313.db2.gz	WOWCAAZOLJJVEG-VAMGGRTRSA-N	1	1	481.663	2.947	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000245247546	570059484	/nfs/dbraw/zinc/05/94/84/570059484.db2.gz	VMUQMFUXIVMSOG-GBWYYYKWSA-N	1	1	460.490	2.897	50	5		JFBAMO
O=C1Nc2ccccc2[C@]12[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000247316242	570067829	/nfs/dbraw/zinc/06/78/29/570067829.db2.gz	KFEVPYJQFFLOEZ-BREDGVMVSA-N	1	1	452.854	2.679	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]1[C@@H]1CCC[N@H+]12	ZINC000248122842	570074606	/nfs/dbraw/zinc/07/46/06/570074606.db2.gz	STZFWFBWYIPTPF-UKDJSQQHSA-N	1	1	460.490	2.749	50	5		JFBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000248333804	570077708	/nfs/dbraw/zinc/07/77/08/570077708.db2.gz	KPLGJLYESKJSKL-MZYVBUQCSA-N	1	1	476.489	2.651	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248332741	570077750	/nfs/dbraw/zinc/07/77/50/570077750.db2.gz	JDYKBEHBYKZQFT-AJGMTHFWSA-N	1	1	460.490	2.951	50	5		JFBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(C)c4C)[C@H]2C1=O	ZINC000248333805	570077753	/nfs/dbraw/zinc/07/77/53/570077753.db2.gz	KPLGJLYESKJSKL-UOMSLYCOSA-N	1	1	476.489	2.651	50	5		JFBAMO
C[C@H]1CCCN(S(=O)(=O)c2ccc(NCC3CCN(CC[NH+](C)C)CC3)c([N+](=O)[O-])c2)C1	ZINC000048290583	524104523	/nfs/dbraw/zinc/10/45/23/524104523.db2.gz	JJOVIMWFQYGXQS-SFHVURJKSA-N	1	1	467.636	2.701	50	5		JFBAMO
Cc1ccc2c(c1C)NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000002445019	554212203	/nfs/dbraw/zinc/21/22/03/554212203.db2.gz	SAEDGDGIBNELAE-ZDQHKECQSA-N	1	1	460.490	2.951	50	5		JFBAMO
Cc1nc2c3ccccc3n3c(CCCC(=O)N4CC[NH+](Cc5ccccc5)CC4)nnc3n2n1	ZINC000020354709	555781880	/nfs/dbraw/zinc/78/18/80/555781880.db2.gz	RFQNORMDDIAVEO-UHFFFAOYSA-N	1	1	468.565	2.901	50	5		JFBAMO
Cc1ccc(S(=O)(=O)N2CCN(c3cc(N4CCCCC4)nc(C)[nH+]3)CC2)cc1[N+](=O)[O-]	ZINC000015671289	555928307	/nfs/dbraw/zinc/92/83/07/555928307.db2.gz	PXJFOHDMEJPTFO-UHFFFAOYSA-N	1	1	460.560	2.503	50	5		JFBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3Cl)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016001125	556106016	/nfs/dbraw/zinc/10/60/16/556106016.db2.gz	GLNWQPJYBYNRKG-QPXQOZNCSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016001766	556106720	/nfs/dbraw/zinc/10/67/20/556106720.db2.gz	NXBREAHTFNTVLB-PBQROFAYSA-N	1	1	460.490	2.951	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@]32C(=O)Nc3c2cccc3C)c(C)cc1[N+](=O)[O-]	ZINC000016001881	556106886	/nfs/dbraw/zinc/10/68/86/556106886.db2.gz	PNDPJSJGPBXDLY-LJZUKVSMSA-N	1	1	476.489	2.651	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016012906	556111740	/nfs/dbraw/zinc/11/17/40/556111740.db2.gz	NVRLWMYLXRFBHU-XVIHEJCXSA-N	1	1	476.489	2.597	50	5		JFBAMO
C[C@@H]1CN(C(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CC[N@@H+](CCOc4ccccc4)C[C@H]23)C[C@H](C)O1	ZINC000035894874	569723240	/nfs/dbraw/zinc/72/32/40/569723240.db2.gz	QESBQKYMLSXDOW-RFRNZTGYSA-N	1	1	494.592	2.973	50	5		JFBAMO
CC[NH+]1CCN(C[C@H](C)CNc2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2[N+](=O)[O-])CC1	ZINC000040149305	569818779	/nfs/dbraw/zinc/81/87/79/569818779.db2.gz	WOWCAAZOLJJVEG-HSALFYBXSA-N	1	1	481.663	2.947	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@H+]2[C@@]32C(=O)Nc3c2cccc3C)c(C)cc1[N+](=O)[O-]	ZINC000049721896	569850210	/nfs/dbraw/zinc/85/02/10/569850210.db2.gz	PNDPJSJGPBXDLY-YVMWEGPTSA-N	1	1	476.489	2.651	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000245247795	570059392	/nfs/dbraw/zinc/05/93/92/570059392.db2.gz	XKDZDNYNWNYBJG-JLUIAWOOSA-N	1	1	490.516	2.905	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@]4(C(=O)Nc5c4ccc(C)c5C)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000248338174	570077837	/nfs/dbraw/zinc/07/78/37/570077837.db2.gz	QVZAKHWBXOTNEC-VAJHCWEMSA-N	1	1	490.516	2.960	50	5		JFBAMO
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248337255	570077883	/nfs/dbraw/zinc/07/78/83/570077883.db2.gz	PQKBSASVPJIMLH-CNWOVPGOSA-N	1	1	466.881	2.988	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3OC)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000252001631	570079660	/nfs/dbraw/zinc/07/96/60/570079660.db2.gz	MNSPYMWCHIEMMQ-DFSVQXFESA-N	1	1	476.489	2.597	50	5		JFBAMO
C[NH+]1CCN(c2cc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])CC1	ZINC000004003311	194368617	/nfs/dbraw/zinc/36/86/17/194368617.db2.gz	JVZLVTGSTOSMCC-UHFFFAOYSA-N	1	1	479.990	2.511	50	5		JFBAMO
Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000021357142	195297909	/nfs/dbraw/zinc/29/79/09/195297909.db2.gz	QHCSPHJPJSUZBT-UHFFFAOYSA-N	1	1	453.543	2.983	50	5		JFBAMO
C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC3CC[NH+](CC(=O)N4CCCC4)CC3)c([N+](=O)[O-])c2)C1	ZINC000040122902	524243996	/nfs/dbraw/zinc/24/39/96/524243996.db2.gz	OMKDCQHGKMXQIT-GOSISDBHSA-N	1	1	493.630	2.514	50	5		JFBAMO
Cc1cc(NC(=O)C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc2c3ccccc3oc(=O)c12	ZINC000006528921	554548875	/nfs/dbraw/zinc/54/88/75/554548875.db2.gz	ZSKOVVCMOOHWMH-SJORKVTESA-N	1	1	456.502	2.869	50	5		JFBAMO
Cc1cc(NC(=O)C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)nc2c3ccccc3oc(=O)c12	ZINC000006528921	554548877	/nfs/dbraw/zinc/54/88/77/554548877.db2.gz	ZSKOVVCMOOHWMH-SJORKVTESA-N	1	1	456.502	2.869	50	5		JFBAMO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1cc(C)cc2C	ZINC000016000701	556105269	/nfs/dbraw/zinc/10/52/69/556105269.db2.gz	IRQJPZFFSINUDE-HOKASXAUSA-N	1	1	476.489	2.651	50	5		JFBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016000867	556105636	/nfs/dbraw/zinc/10/56/36/556105636.db2.gz	PBVSOIVDCRGCAE-QYUDBREXSA-N	1	1	466.881	2.988	50	5		JFBAMO
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@]21C(=O)Nc2c1ccc(C)c2C	ZINC000016001662	556106933	/nfs/dbraw/zinc/10/69/33/556106933.db2.gz	QPMCFPFDNOSRMU-UJAPCULTSA-N	1	1	476.489	2.651	50	5		JFBAMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000016009674	556108108	/nfs/dbraw/zinc/10/81/08/556108108.db2.gz	NUVIJMBHELZTOQ-KANGHSEISA-N	1	1	470.844	2.819	50	5		JFBAMO
O=C1Nc2ccc(F)cc2[C@@]12[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12	ZINC000016009674	556108111	/nfs/dbraw/zinc/10/81/11/556108111.db2.gz	NUVIJMBHELZTOQ-KANGHSEISA-N	1	1	470.844	2.819	50	5		JFBAMO
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016011751	556110627	/nfs/dbraw/zinc/11/06/27/556110627.db2.gz	VMUQMFUXIVMSOG-PBQROFAYSA-N	1	1	460.490	2.897	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3OC)C(=O)[C@@H]2[C@@H]2CCC[N@H+]21	ZINC000016012746	556111699	/nfs/dbraw/zinc/11/16/99/556111699.db2.gz	UHVFHSHMKTYUAX-BINBFKAUSA-N	1	1	476.489	2.597	50	5		JFBAMO
CC(C)(C)NS(=O)(=O)c1ccc(NCC[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000031576814	556399491	/nfs/dbraw/zinc/39/94/91/556399491.db2.gz	ASBWPXKFTOLALC-UHFFFAOYSA-N	1	1	461.588	2.906	50	5		JFBAMO
Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000034793150	569660690	/nfs/dbraw/zinc/66/06/90/569660690.db2.gz	NXBREAHTFNTVLB-MVOHMCPASA-N	1	1	460.490	2.951	50	5		JFBAMO
CCC1=C(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1	ZINC000103306591	569834588	/nfs/dbraw/zinc/83/45/88/569834588.db2.gz	RLGFHJCMCUMQEV-NRFANRHFSA-N	1	1	485.566	2.897	50	5		JFBAMO
Cc1cccc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21	ZINC000103548787	569836103	/nfs/dbraw/zinc/83/61/03/569836103.db2.gz	PQKBSASVPJIMLH-VGHKVXAASA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@@H+]21	ZINC000245324878	570064088	/nfs/dbraw/zinc/06/40/88/570064088.db2.gz	BJZGBHAJOKWAMJ-YDSTWLSQSA-N	1	1	466.881	2.988	50	5		JFBAMO
Cc1cc(Cl)cc2c1NC(=O)[C@@]21[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000245324878	570064089	/nfs/dbraw/zinc/06/40/89/570064089.db2.gz	BJZGBHAJOKWAMJ-YDSTWLSQSA-N	1	1	466.881	2.988	50	5		JFBAMO
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000245328554	570065942	/nfs/dbraw/zinc/06/59/42/570065942.db2.gz	UZDODSAFDFBGJD-AUSIDOKSSA-N	1	1	483.912	2.789	50	5		JFBAMO
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@H]2C1	ZINC000245328554	570065943	/nfs/dbraw/zinc/06/59/43/570065943.db2.gz	UZDODSAFDFBGJD-AUSIDOKSSA-N	1	1	483.912	2.789	50	5		JFBAMO
CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3cc(OC)c([N+](=O)[O-])cc3C)C(=O)[C@H]1[C@@H]1CCC[N@H+]12	ZINC000248116450	570074255	/nfs/dbraw/zinc/07/42/55/570074255.db2.gz	PPZSONNTLFUKJX-XIBGDNMGSA-N	1	1	490.516	2.757	50	5		JFBAMO
CCc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3C)C(=O)[C@H]2[C@@H]2CCC[N@H+]21	ZINC000248135478	570075107	/nfs/dbraw/zinc/07/51/07/570075107.db2.gz	ZFVZIBJAYAXLND-AIFLQVKLSA-N	1	1	460.490	2.897	50	5		JFBAMO
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2CCC[N@H+]21	ZINC000248336802	570077960	/nfs/dbraw/zinc/07/79/60/570077960.db2.gz	PBVSOIVDCRGCAE-ZQDYSYBYSA-N	1	1	466.881	2.988	50	5		JFBAMO
COc1cc(N2C(=O)[C@@H]3[C@@H]4CCC[N@H+]4[C@@]4(C(=O)Nc5ccc(C)cc54)[C@H]3C2=O)c(C)cc1[N+](=O)[O-]	ZINC000253487377	570099754	/nfs/dbraw/zinc/09/97/54/570099754.db2.gz	JKVBXPAQIQGZPG-VNNIKUAHSA-N	1	1	476.489	2.651	50	5		JFBAMO